{"id":"W4320495538","doi":"10.26434/chemrxiv-2022-98wmf-v3","title":"eChem: A notebook exploration of quantum chemistry","year":2023,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"Scientific Computing and Data Management","field":"Decision Sciences","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"Kootenay Association for Science & Technology","funders":"Air Force Office of Scientific Research; Samsung; Korea Advanced Institute of Science and Technology; Vetenskapsrådet; Swedish e-Science Research Centre","keywords":"Mirroring; Workflow; Presentation (obstetrics); Computer science; Software; Chemistry education; World Wide Web; Chemistry; Psychology","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001044115,0.0009626407,0.000670972,0.001670949,0.0006936358,0.003633542,0.00160049,0.00111517,0.1355654],"category_scores_gemma":[0.003157452,0.0006343074,0.0007522936,0.002333995,0.0006623865,0.003291326,0.002668021,0.00246446,0.03992047],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007501453,"about_ca_system_score_gemma":0.0009316187,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006706074,"about_ca_topic_score_gemma":0.001650494,"domain_scores_codex":[0.9994203,0.00009844633,0.00002446523,0.00009034606,0.0003289252,0.00003756983],"domain_scores_gemma":[0.9983827,0.0009965063,0.00004137251,0.0001480348,0.0002143883,0.0002170429],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"not_applicable","study_design_scores_codex":[0.00005057245,0.00004973856,0.0001354715,0.0002879987,0.00001249061,0.0001378029,0.0002586593,0.002451323,0.001947634,0.03304521,0.7910256,0.1705975],"study_design_scores_gemma":[0.000008725334,0.00001295084,0.0002439002,0.00009513959,0.000001796013,0.0002004862,0.00005386086,0.001368998,0.0006125632,0.01176955,0.9856189,0.00001309231],"study_design_candidate":"not_applicable","study_design_consensus":"not_applicable","genre_codex":"other","genre_gemma":"software","genre_scores_codex":[0.005972785,0.01767456,0.450885,0.009774508,0.006398657,0.0004835873,0.01189312,0.02832699,0.4685908],"genre_scores_gemma":[0.01604022,0.0108162,0.1933993,0.002463447,0.002224141,0.0004402054,0.01061169,0.01343946,0.7505653],"genre_candidate":"software","genre_consensus":null,"teacher_disagreement_score":0.1355654,"threshold_uncertainty_score":0.4535114,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.4029106032979522,"score_gpt":0.417414472246327,"score_spread":0.0145038689483748,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}